CID 71299065

7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1COC2=NC(=C(C=C2O1)Cl)C=O
InChI
InChI=1S/C8H6ClNO3/c9-5-3-7-8(10-6(5)4-11)13-2-1-12-7/h3-4H,1-2H2
InChIKey
NKLCPPLXAPBCNM-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.00362 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 135.7
[M+Na]+ 221.99284 145.9
[M-H]- 197.99634 140.2
[M+NH4]+ 217.03744 153.0
[M+K]+ 237.96678 144.9
[M+H-H2O]+ 182.00088 129.8
[M+HCOO]- 244.00182 150.6
[M+CH3COO]- 258.01747 180.7
[M+Na-2H]- 219.97829 145.3
[M]+ 199.00307 139.2
[M]- 199.00417 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.